2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide

C23H19ClFN3O4S — CID 50824193

IUPAC2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccccc3Cl)cc21
InChIInChI=1S/C23H19ClFN3O4S/c1-27-19-12-18(26-22(29)11-14-5-3-4-6-17(14)24)21(13-20(19)28(2)23(27)30)33(31,32)16-9-7-15(25)8-10-16/h3-10,12-13H,11H2,1-2H3,(H,26,29)
InChIKeyMTMGARVNIJFRNP-UHFFFAOYSA-N
MW487.94 g/mol
LogP3.68
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide

2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide (PubChem CID 50824193) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
PubChem CID50824193
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccccc3Cl)cc21
InChIInChI=1S/C23H19ClFN3O4S/c1-27-19-12-18(26-22(29)11-14-5-3-4-6-17(14)24)21(13-20(19)28(2)23(27)30)33(31,32)16-9-7-15(25)8-10-16/h3-10,12-13H,11H2,1-2H3,(H,26,29)
InChIKeyMTMGARVNIJFRNP-UHFFFAOYSA-N
XLogP3.68
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1,3-Diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773109
N-[6-(Benzenesulfonyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 50824186
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 34855767
N-[1,3-Dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 35397453
N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 35397467
N-{6-[(4-Chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-2,6-difluorobenzamide
CID 35397469
N-[1,3-Dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzamide
CID 35397536
N-[1,3-Dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 35397544
N-[1,3-Dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-fluorobenzamide
CID 35397546
N-[6-(Cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 35397601
N-[6-(Cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 35397621
N-[6-(Cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-fluorobenzamide
CID 35397623

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide (CID 50824193) is 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccccc3Cl)cc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The InChIKey is MTMGARVNIJFRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-27-19-12-18(26-22(29)11-14-5-3-4-6-17(14)24)21(13-20(19)28(2)23(27)30)33(31,32)16-9-7-15(25)8-10-16/h3-10,12-13H,11H2,1-2H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide has a molecular weight of 487.94 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide is sourced from PubChem (CID 50824193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).